CHEBI:48778 - 7α,26-dihydroxy-5β-cholestan-3-one

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ChEBI Name 7α,26-dihydroxy-5β-cholestan-3-one
ChEBI ID CHEBI:48778
ChEBI ASCII Name 7alpha,26-dihydroxy-5beta-cholestan-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C27H46O3
Net Charge 0
Average Mass 418.65234
Monoisotopic Mass 418.34470
InChI InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-19,21-25,28,30H,5-16H2,1-4H3/t17?,18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey HXGWUGDCIVSGLK-QOXJXTBWSA-N
SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)CO)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
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ChEBI Ontology
Outgoing 7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) has parent hydride 5β-cholestane (CHEBI:35517)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) has role bile acid metabolite (CHEBI:48887)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) is a 26-hydroxy steroid (CHEBI:36852)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) is a 3-oxo-5β-steroid (CHEBI:1624)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
7α,26-dihydroxy-5β-cholestan-3-one
Synonyms Sources
5β-cholestan-7α,26-diol-3-one ChEBI
5β-cholestan-7α,27-diol-3-one ChEBI
Last Modified
26 April 2017